SCHEMBL6131580

SCHEMBL6131580

CC(O)C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CYP2D6 P10635 1/20 0.50
CTSK P43235 9/20 0.44
CTSS P25774 5/20 0.44
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13508405 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL8089855 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL3688851 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL30660637 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL1250920 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL23622224 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL15081440 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL19102018 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL305895 0.82 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL10652 0.79 CA1 (0.57) CA1CA2CA7CYP2D6CTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115175738-A Conjugates undergoing intramolecular rearrangement 阿森迪斯药物股份有限公司 2022-10-11 CN disclosed
EP-1596845-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF Genfit (FR) 2005-11-23 EP disclosed
US-6958141-B2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2005-10-25 US disclosed
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2004-09-30 US disclosed
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO disclosed
US-6699458-B2 CELL MEMBRANE PERMEABILITIES GREATER THAN THAT OF SUCROSE BRACCO INTERNATIONAL B.V. (NL) 2004-03-02 US disclosed
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY BRACCO SUISSE SA (CH) 2004-01-15 US disclosed
US-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2002-05-09 US disclosed
US-6359120-B1 REACTING ALKYLENE DIAMINE WITH HALOKETONE TO PROVIDE AN ALKYLENE DIAMINEDIKETONE WHICH IS CONVERTED TO ALKYLENE DIAMINEDIOXIME; OR REACTING ALKYLENE DIAMINE WITH FIRST HALOKETONE AND REACTING WITH SECOND HALOKETONE BRACCO INTERNATIONAL B.V. (NL) 2002-03-19 US disclosed
EP-1012139-A4 AZETIDINONE DERIVATIVES AS $g(b)-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2001-08-16 EP disclosed
US-6184361-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2001-02-06 US disclosed
EP-1012139-A1 AZETIDINONE DERIVATIVES AS $g(b)-LACTAMASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2000-06-28 EP disclosed
WO-1999010324-A1 AZETIDINONE DERIVATIVES AS β-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 1999-03-04 WO disclosed
US-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US disclosed
US-5688487-A Diagnostic imaging methods using rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1997-11-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 CA1 22/4885CA2 79/4885CA7 111/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 CA1 22/4885CA2 79/4885CA7 111/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 CA1 22/4885CA2 79/4885CA7 111/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.